(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C=CC3=CC=C(S3)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)/C=C/C3=CC=C(S3)Br)C=C1

InChI

InChI=1S/C17H13BrN2O3S/c1-11-2-6-15-19-12(8-16(21)20(15)9-11)10-23-17(22)7-4-13-3-5-14(18)24-13/h2-9H,10H2,1H3/b7-4+